BDBM50197929 CHEMBL3954506

SMILES: [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1

InChI Key: InChIKey=BPWNJPXVAFVVPP-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50197929   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM50197929 (CHEMBL3954506) Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-5-2-1-3-6-11)22-16(21-14)19-12-7-4-8-13(9-12)23(24)25/h4,7-9,11H,1-3,5-6H2,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50197929 (CHEMBL3954506) Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-5-2-1-3-6-11)22-16(21-14)19-12-7-4-8-13(9-12)23(24)25/h4,7-9,11H,1-3,5-6H2,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50197929 (CHEMBL3954506) Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-5-2-1-3-6-11)22-16(21-14)19-12-7-4-8-13(9-12)23(24)25/h4,7-9,11H,1-3,5-6H2,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50197929 (CHEMBL3954506) Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C16H17N7O2/c17-10-14-20-15(18-11-5-2-1-3-6-11)22-16(21-14)19-12-7-4-8-13(9-12)23(24)25/h4,7-9,11H,1-3,5-6H2,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method				Eur J Med Chem 121: 12-20 (2016) Article DOI: 10.1016/j.ejmech.2016.05.009 BindingDB Entry DOI: 10.7270/Q22J6DTR
					More data for this Ligand-Target Pair